3-[3-[2-(4-hydroxy-2-methyl-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl)ethynyl]phenyl]imidazo[1,5-a]pyridine-1-carboxamide;3-[3-[2-(4-hydroxy-2-methyl-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl)ethynyl]phenyl]imidazo[1,5-a]pyridine-1-carboxylic acid;methane

C45H39N7O7 — CID 157490558

About 3-[3-[2-(4-hydroxy-2-methyl-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl)ethynyl]phenyl]imidazo[1,5-a]pyridine-1-carboxamide;3-[3-[2-(4-hydroxy-2-methyl-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl)ethynyl]phenyl]imidazo[1,5-a]pyridine-1-carboxylic acid;methane

3-[3-[2-(4-hydroxy-2-methyl-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl)ethynyl]phenyl]imidazo[1,5-a]pyridine-1-carboxamide;3-[3-[2-(4-hydroxy-2-methyl-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl)ethynyl]phenyl]imidazo[1,5-a]pyridine-1-carboxylic acid;methane (PubChem CID 157490558) has the molecular formula C45H39N7O7 and a molecular weight of 789.85 g/mol. Its IUPAC name is 3-[3-[2-(4-hydroxy-2-methyl-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl)ethynyl]phenyl]imidazo[1,5-a]pyridine-1-carboxamide;3-[3-[2-(4-hydroxy-2-methyl-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl)ethynyl]phenyl]imidazo[1,5-a]pyridine-1-carboxylic acid;methane.

Molecular Properties

• Compound Name: 3-[3-[2-(4-hydroxy-2-methyl-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl)ethynyl]phenyl]imidazo[1,5-a]pyridine-1-carboxamide;3-[3-[2-(4-hydroxy-2-methyl-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl)ethynyl]phenyl]imidazo[1,5-a]pyridine-1-carboxylic acid;methane
• PubChem CID: 157490558
• Molecular Formula: C45H39N7O7
• Molecular Weight: 789.85 g/mol
• Exact Mass: 789.29
• IUPAC Name: 3-[3-[2-(4-hydroxy-2-methyl-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl)ethynyl]phenyl]imidazo[1,5-a]pyridine-1-carboxamide;3-[3-[2-(4-hydroxy-2-methyl-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl)ethynyl]phenyl]imidazo[1,5-a]pyridine-1-carboxylic acid;methane
• SMILES: C.CN1C(=O)C(O)(C#Cc2cccc(-c3nc(C(=O)O)c4ccccn34)c2)C2CC21.CN1C(=O)C(O)(C#Cc2cccc(-c3nc(C(N)=O)c4ccccn34)c2)C2CC21
• InChI: InChI=1S/C22H18N4O3.C22H17N3O4.CH4/c1-25-17-12-15(17)22(29,21(25)28)9-8-13-5-4-6-14(11-13)20-24-18(19(23)27)16-7-2-3-10-26(16)20;1-24-17-12-15(17)22(29,21(24)28)9-8-13-5-4-6-14(11-13)19-23-18(20(26)27)16-7-2-3-10-25(16)19;/h2-7,10-11,15,17,29H,12H2,1H3,(H2,23,27);2-7,10-11,15,17,29H,12H2,1H3,(H,26,27);1H4
• InChIKey: BXFKJLCQBPUJPD-UHFFFAOYSA-N
• XLogP: 3.32
• TPSA: 196.07 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	789.85
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(4-hydroxy-2-methyl-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl)ethynyl]phenyl]imidazo[1,5-a]pyridine-1-carboxamide;3-[3-[2-(4-hydroxy-2-methyl-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl)ethynyl]phenyl]imidazo[1,5-a]pyridine-1-carboxylic acid;methane?

The IUPAC name of 3-[3-[2-(4-hydroxy-2-methyl-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl)ethynyl]phenyl]imidazo[1,5-a]pyridine-1-carboxamide;3-[3-[2-(4-hydroxy-2-methyl-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl)ethynyl]phenyl]imidazo[1,5-a]pyridine-1-carboxylic acid;methane (CID 157490558) is 3-[3-[2-(4-hydroxy-2-methyl-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl)ethynyl]phenyl]imidazo[1,5-a]pyridine-1-carboxamide;3-[3-[2-(4-hydroxy-2-methyl-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl)ethynyl]phenyl]imidazo[1,5-a]pyridine-1-carboxylic acid;methane.

What is the SMILES notation for 3-[3-[2-(4-hydroxy-2-methyl-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl)ethynyl]phenyl]imidazo[1,5-a]pyridine-1-carboxamide;3-[3-[2-(4-hydroxy-2-methyl-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl)ethynyl]phenyl]imidazo[1,5-a]pyridine-1-carboxylic acid;methane?

The canonical SMILES for 3-[3-[2-(4-hydroxy-2-methyl-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl)ethynyl]phenyl]imidazo[1,5-a]pyridine-1-carboxamide;3-[3-[2-(4-hydroxy-2-methyl-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl)ethynyl]phenyl]imidazo[1,5-a]pyridine-1-carboxylic acid;methane is C.CN1C(=O)C(O)(C#Cc2cccc(-c3nc(C(=O)O)c4ccccn34)c2)C2CC21.CN1C(=O)C(O)(C#Cc2cccc(-c3nc(C(N)=O)c4ccccn34)c2)C2CC21.

What is the InChIKey of 3-[3-[2-(4-hydroxy-2-methyl-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl)ethynyl]phenyl]imidazo[1,5-a]pyridine-1-carboxamide;3-[3-[2-(4-hydroxy-2-methyl-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl)ethynyl]phenyl]imidazo[1,5-a]pyridine-1-carboxylic acid;methane?

The InChIKey is BXFKJLCQBPUJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3.C22H17N3O4.CH4/c1-25-17-12-15(17)22(29,21(25)28)9-8-13-5-4-6-14(11-13)20-24-18(19(23)27)16-7-2-3-10-26(16)20;1-24-17-12-15(17)22(29,21(24)28)9-8-13-5-4-6-14(11-13)19-23-18(20(26)27)16-7-2-3-10-25(16)19;/h2-7,10-11,15,17,29H,12H2,1H3,(H2,23,27);2-7,10-11,15,17,29H,12H2,1H3,(H,26,27);1H4.

What are the key properties of 3-[3-[2-(4-hydroxy-2-methyl-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl)ethynyl]phenyl]imidazo[1,5-a]pyridine-1-carboxamide;3-[3-[2-(4-hydroxy-2-methyl-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl)ethynyl]phenyl]imidazo[1,5-a]pyridine-1-carboxylic acid;methane?

3-[3-[2-(4-hydroxy-2-methyl-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl)ethynyl]phenyl]imidazo[1,5-a]pyridine-1-carboxamide;3-[3-[2-(4-hydroxy-2-methyl-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl)ethynyl]phenyl]imidazo[1,5-a]pyridine-1-carboxylic acid;methane has a molecular weight of 789.85 g/mol, XLogP of 3.32, 4 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[2-(4-hydroxy-2-methyl-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl)ethynyl]phenyl]imidazo[1,5-a]pyridine-1-carboxamide;3-[3-[2-(4-hydroxy-2-methyl-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl)ethynyl]phenyl]imidazo[1,5-a]pyridine-1-carboxylic acid;methane is sourced from PubChem (CID 157490558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).